ethyl 2-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate

Systemtic Name: ethyl 2-[2-(6-azanyl-4-oxidanylidene-1-phenyl-pyrimidin-2-yl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Openeye Name: ethyl 2-[2-(6-amino-4-oxo-1-phenyl-pyrimidin-2-yl)sulfanylbutanoylamino]-4-methyl-thiazole-5-carboxylate CAS Name: 2-[[2-[(6-amino-4-oxo-1-phenyl-2-pyrimidinyl)thio]-1-oxobutyl]amino]-4-methyl-5-thiazolecarboxylic acid ethyl ester IUPAC Name: ethyl 2-[2-(6-amino-4-oxo-1-phenylpyrimidin-2-yl)sulfanylbutanoylamino]-4-methyl-1,3-thiazole-5-carboxylate Traditional Name: 2-[2-[(6-amino-4-keto-1-phenyl-pyrimidin-2-yl)thio]butanoylamino]-4-methyl-thiazole-5-carboxylic acid ethyl ester Formula: C21H23N5O4S2 MolecularWeight: 473.56842

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

Isomeric SMILES

CCC(C(=O)NC1=NC(=C(S1)C(=O)OCC)C)SC2=NC(=O)C=C(N2C3=CC=CC=C3)N

InChI

InChI=1S/C21H23N5O4S2/c1-4-14(18(28)25-20-23-12(3)17(32-20)19(29)30-5-2)31-21-24-16(27)11-15(22)26(21)13-9-7-6-8-10-13/h6-11,14H,4-5,22H2,1-3H3,(H,23,25,28)